13SX
PanDDA analysis group deposition -- IDOL RING domain in complex with POB0134
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92205 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.580, 48.033, 70.679 |
| Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
| Resolution | 19.860 - 1.360 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.19860 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.730 | 39.730 | 1.380 |
| High resolution limit [Å] | 1.360 | 7.450 | 1.360 |
| Rmerge | 0.109 | 0.067 | 1.736 |
| Rmeas | 0.118 | 0.074 | 2.028 |
| Rpim | 0.046 | 0.031 | 1.014 |
| Total number of observations | 388113 | ||
| Number of reflections | 62683 | 2584 | 9817 |
| <I/σ(I)> | 9.7 | 46.9 | 0.4 |
| Completeness [%] | 97.5 | 99.6 | 81.9 |
| Redundancy | 6.2 | 6.1 | 3.8 |
| CC(1/2) | 0.991 | 0.936 | 0.351 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 200 mM Sodium acetate, 100 mM Tris, 30% w/v PEG 4000 |
